1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine

C14H16FN3O2 — CID 63064418

IUPAC1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(F)cc1OCc1nc(C2CC2)no1
InChIInChI=1S/C14H16FN3O2/c1-8(16)11-5-4-10(15)6-12(11)19-7-13-17-14(18-20-13)9-2-3-9/h4-6,8-9H,2-3,7,16H2,1H3
InChIKeyWEODJFVLTBQWCI-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.68
Rot. Bonds5

About 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine

1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine (PubChem CID 63064418) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine
PubChem CID63064418
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(F)cc1OCc1nc(C2CC2)no1
InChIInChI=1S/C14H16FN3O2/c1-8(16)11-5-4-10(15)6-12(11)19-7-13-17-14(18-20-13)9-2-3-9/h4-6,8-9H,2-3,7,16H2,1H3
InChIKeyWEODJFVLTBQWCI-UHFFFAOYSA-N
XLogP2.68
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine (CID 63064418) is 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine is CC(N)c1ccc(F)cc1OCc1nc(C2CC2)no1.
What is the InChIKey of 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine?
The InChIKey is WEODJFVLTBQWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8(16)11-5-4-10(15)6-12(11)19-7-13-17-14(18-20-13)9-2-3-9/h4-6,8-9H,2-3,7,16H2,1H3.
What are the key properties of 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine?
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine has a molecular weight of 277.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine is sourced from PubChem (CID 63064418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).